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Chlorine in PDB 3ozv: The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole

Enzymatic activity of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole

All present enzymatic activity of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole:
1.14.12.17;

Protein crystallography data

The structure of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole, PDB code: 3ozv was solved by E.El Hammi, E.Warkentin, U.Demmer, U.Ermler, L.Baciou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.220, 87.220, 291.260, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 24.8

Other elements in 3ozv:

The structure of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole (pdb code 3ozv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole, PDB code: 3ozv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 1 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:52.4
occ:1.00
 CL4 B:ECN411 0.0 52.4 1.0
C14 B:ECN411 1.8 45.6 1.0
C15 B:ECN411 2.8 50.0 1.0
C5 B:ECN411 2.8 52.6 1.0
C9 B:ECN411 3.0 1.0 1.0
C20 B:ECN411 3.0 51.4 1.0
C10 B:ECN411 3.1 0.7 1.0
C11 B:ECN411 3.4 0.3 1.0
C19 B:ECN411 3.6 51.3 1.0
CG1 B:ILE25 3.6 44.4 1.0
C1 B:ECN411 3.6 0.8 1.0
CD2 B:PHE28 3.8 31.4 1.0
C13 B:ECN411 3.9 0.9 1.0
C2 B:ECN411 4.0 0.4 1.0
C16 B:ECN411 4.1 58.9 1.0
CE2 B:PHE28 4.1 31.4 1.0
C21 B:ECN411 4.1 55.0 1.0
O20 B:ECN411 4.3 77.8 1.0
C7 B:ECN411 4.3 33.0 1.0
N1 B:ECN411 4.3 42.4 1.0
CL2 B:ECN411 4.4 1.0 1.0
C8 B:ECN411 4.4 0.4 1.0
CG B:PHE28 4.5 30.3 1.0
CB B:ILE25 4.6 44.7 1.0
CD2 B:LEU57 4.6 48.5 1.0
C17 B:ECN411 4.6 53.0 1.0
CA B:ILE25 4.6 40.6 1.0
CD1 B:ILE25 4.6 48.8 1.0
CD1 B:LEU57 4.7 46.4 1.0
OH B:TYR29 4.8 57.4 1.0
CE1 B:TYR29 4.9 48.6 1.0
CZ B:PHE28 5.0 28.4 1.0
CB B:PHE28 5.0 30.5 1.0
CG2 B:ILE25 5.0 40.5 1.0
CZ B:TYR29 5.0 49.9 1.0

Chlorine binding site 2 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 2 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:1.0
occ:1.00
 CL2 B:ECN411 0.0 1.0 1.0
C11 B:ECN411 1.8 0.3 1.0
CG2 B:ILE24 2.3 34.6 1.0
C9 B:ECN411 2.7 1.0 1.0
C13 B:ECN411 2.8 0.9 1.0
O B:ILE24 3.0 34.5 1.0
CB B:PHE28 3.2 30.5 1.0
C B:ILE24 3.4 37.2 1.0
CB B:ILE24 3.5 36.9 1.0
CB B:ALA105 3.8 28.8 1.0
CG B:PHE28 3.9 30.3 1.0
CA B:ILE24 3.9 37.9 1.0
C10 B:ECN411 4.0 0.7 1.0
CD1 B:LEU102 4.0 42.4 1.0
N B:ILE25 4.0 41.4 1.0
C2 B:ECN411 4.1 0.4 1.0
O B:LEU102 4.3 32.6 1.0
CL4 B:ECN411 4.4 52.4 1.0
CA B:ILE25 4.4 40.6 1.0
CA B:PHE28 4.5 32.6 1.0
CD1 B:PHE28 4.5 28.7 1.0
CA B:LEU102 4.5 32.2 1.0
C1 B:ECN411 4.6 0.8 1.0
CD2 B:PHE28 4.6 31.4 1.0
N B:PHE28 4.6 34.9 1.0
CG1 B:ILE24 4.7 38.0 1.0
CG1 B:ILE106 4.8 32.3 1.0
CB B:LEU102 4.8 35.1 1.0
C B:LEU102 4.9 32.6 1.0
N B:ILE106 4.9 31.7 1.0
CG B:LEU102 5.0 42.3 1.0

Chlorine binding site 3 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 3 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:89.8
occ:1.00
 CL8 B:ECN411 0.0 89.8 1.0
C16 B:ECN411 1.8 58.9 1.0
C15 B:ECN411 2.7 50.0 1.0
C17 B:ECN411 2.7 53.0 1.0
OE1 B:GLN53 3.1 89.7 1.0
CB B:ALA56 3.5 51.2 1.0
O B:GLN53 3.9 59.4 1.0
CD B:GLN53 4.0 88.5 1.0
CB B:GLN53 4.0 78.2 1.0
N B:LEU57 4.0 48.7 1.0
C14 B:ECN411 4.0 45.6 1.0
C21 B:ECN411 4.0 55.0 1.0
CG B:GLN53 4.0 85.0 1.0
C B:ALA56 4.3 50.7 1.0
CA B:GLN53 4.4 76.8 1.0
CA B:LEU57 4.5 48.9 1.0
C5 B:ECN411 4.5 52.6 1.0
CA B:ALA56 4.6 53.7 1.0
C B:GLN53 4.6 67.9 1.0
CB B:LEU57 4.7 46.3 1.0
O B:ALA56 4.8 51.4 1.0
CAA B:HEM404 4.9 45.4 1.0

Chlorine binding site 4 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 4 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:75.5
occ:1.00
 CL4 A:ECN411 0.0 75.5 1.0
C14 A:ECN411 1.8 81.8 1.0
C5 A:ECN411 2.7 66.7 1.0
C20 A:ECN411 2.9 56.0 1.0
C15 A:ECN411 2.9 77.5 1.0
C10 A:ECN411 3.1 79.0 1.0
C19 A:ECN411 3.2 43.0 1.0
C9 A:ECN411 3.4 91.2 1.0
C7 A:ECN411 3.8 36.4 1.0
CD2 A:PHE28 3.9 31.4 1.0
N1 A:ECN411 3.9 39.1 1.0
CE2 A:PHE28 3.9 30.6 1.0
CG1 A:ILE25 3.9 47.1 1.0
C21 A:ECN411 4.0 63.1 1.0
C16 A:ECN411 4.2 77.8 1.0
O20 A:ECN411 4.2 62.0 1.0
C1 A:ECN411 4.3 84.4 1.0
OH A:TYR29 4.6 49.1 1.0
C17 A:ECN411 4.6 73.7 1.0
CD1 A:ILE25 4.7 58.5 1.0
NE2 A:GLN53 4.8 48.6 1.0
C11 A:ECN411 4.8 96.2 1.0
CG A:PHE28 4.8 32.1 1.0
C8 A:ECN411 4.8 68.5 1.0
CD1 A:LEU102 4.9 38.3 1.0
CD1 A:LEU57 4.9 48.5 1.0
CZ A:PHE28 4.9 28.9 1.0
CE1 A:TYR29 4.9 44.6 1.0
CZ A:TYR29 5.0 45.0 1.0

Chlorine binding site 5 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 5 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:0.7
occ:1.00
 CL2 A:ECN411 0.0 0.7 1.0
C11 A:ECN411 1.8 96.2 1.0
C13 A:ECN411 2.7 0.0 1.0
CG2 A:ILE24 2.8 35.8 1.0
C9 A:ECN411 2.8 91.2 1.0
CD1 A:ILE24 3.4 39.9 1.0
CB A:ILE24 3.5 39.6 1.0
CG1 A:ILE106 3.6 38.8 1.0
CD2 A:LEU57 3.8 50.6 1.0
CG1 A:ILE24 3.9 40.1 1.0
CD1 A:ILE106 3.9 38.9 1.0
C2 A:ECN411 4.0 99.5 1.0
C10 A:ECN411 4.1 79.0 1.0
CD1 A:LEU102 4.1 38.3 1.0
CG A:LEU17 4.5 45.2 1.0
C1 A:ECN411 4.6 84.4 1.0
CD2 A:LEU17 4.7 43.7 1.0
CD1 A:LEU57 4.7 48.5 1.0
CG A:LEU57 4.8 49.2 1.0
O A:LEU17 4.8 48.0 1.0
CB A:LEU17 4.8 44.6 1.0
CA A:ILE24 5.0 42.0 1.0

Chlorine binding site 6 out of 6 in 3ozv

Go back to Chlorine Binding Sites List in 3ozv
Chlorine binding site 6 out of 6 in the The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Flavohemoglobin From R. Eutrophus in Complex with Econazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:88.5
occ:1.00
 CL8 A:ECN411 0.0 88.5 1.0
C16 A:ECN411 1.8 77.8 1.0
C17 A:ECN411 2.7 73.7 1.0
C15 A:ECN411 2.9 77.5 1.0
CB A:ALA56 3.7 48.1 1.0
C21 A:ECN411 4.0 63.1 1.0
CB A:GLN53 4.1 49.5 1.0
CAA A:HEM404 4.1 42.7 1.0
CD A:GLN53 4.1 53.2 1.0
C14 A:ECN411 4.2 81.8 1.0
OE1 A:GLN53 4.2 58.2 1.0
CA A:GLN53 4.2 50.9 1.0
CG A:GLN53 4.3 53.8 1.0
O A:GLN53 4.5 49.6 1.0
CB A:PRO398 4.5 99.2 1.0
NE2 A:GLN53 4.5 48.6 1.0
C2A A:HEM404 4.5 44.6 1.0
C5 A:ECN411 4.6 66.7 1.0
N A:LEU57 4.9 47.0 1.0
C A:GLN53 4.9 51.5 1.0
CG A:PRO398 4.9 0.0 1.0

Reference:

E.El Hammi, E.Warkentin, U.Demmer, F.Limam, N.M.Marzouki, U.Ermler, L.Baciou. Structure of Ralstonia Eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds. Biochemistry V. 50 1255 2011.
ISSN: ISSN 0006-2960
PubMed: 21210640
DOI: 10.1021/BI101650Q
Page generated: Fri Jul 11 08:57:05 2025

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